MolNFT v1 · #185199 · protein
Crystal structure of pseudomonas aeruginosa guab (imp dehydrogenase) bound to ATP and GDP at 1.65A resolution
7PJI · Inosine-5'-monophosphate dehydrogenase: “Crystal structure of pseudomonas aeruginosa guab (imp dehydrogenase) bound to ATP and GDP at 1.65A resolution”. X-ray diffraction, 5 ligands (ATP, GDP, IMP), 10 pockets (best druggability…
- PDB
- 7PJI
- Type
- protein
- Length
- 888 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine-5'-monophosphate dehydrogenase
- EC
- 1.1.1.205
- UniProt
- A0A069Q6I8
- Ligands
- ATP, GDP, IMP, MG, K
- Pockets
- 10 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 445 | 35% helix, 20% strand | A0A069Q6I8 |
| B | Inosine-5'-monophosphate dehydrogenase (EC 1.1.1.205) | protein | 443 | 35% helix, 21% strand | A0A069Q6I8 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- IMP · Inosinic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.75 | 0.86 | 38 | IMP |
| 2 | 323 | 0.72 | 0.85 | 36 | IMP |
| 3 | 843 | 0.68 | 0.75 | 90 | empty |
| 4 | 250 | 0.58 | 0.79 | 28 | GDP |
| 5 | 273 | 0.58 | 0.78 | 30 | GDP, MG |
Interfaces
1 interface between chains.
- A–B · 170 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7PJI · Crystal structure of Pseudomonas aeruginosa guaB (IMP dehydrogenase) bound to ATP and GDP… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt A0A069Q6I8
- Elsewhere: RCSB PDB 7PJI · PDBe 7PJI · UniProt A0A069Q6I8
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